Catalog Number:
AG00C6IJ
Chemical Name:
A2AR-agonist-1
CAS Number:
41552-95-8
Molecular Formula:
C20H22N6O4
Molecular Weight:
410.4265
MDL Number:
MFCD01754449
IUPAC Name:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol
InChI:
InChI=1S/C20H22N6O4/c27-8-14-16(28)17(29)20(30-14)26-10-25-15-18(23-9-24-19(15)26)21-6-5-11-7-22-13-4-2-1-3-12(11)13/h1-4,7,9-10,14,16-17,20,22,27-29H,5-6,8H2,(H,21,23,24)/t14-,16-,17-,20-/m1/s1
InChI Key:
QGCNEMXXKWZPHR-WVSUBDOOSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCCc1c[nH]c2c1cccc2
